1 83232834340 1 3 1000.0000 7 0 0 s 2 p 3 p 0 f 0 h 0 k 0 s 0 d 0 s ii s2p3 e= -87506.52091 s 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 s ii s2p2 4p e= -87385.71405 s 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 s ii s2p2 5p e= -87357.64098 s 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 s ii s2p2 6p e= -87346.00473 s 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 s ii s2p2 7p e= -87339.94966 s 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 s ii s2p2 8p e= -87336.38575 s 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 s ii s2p2 9p e= -87334.10876 s 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 s ii s2p2 4f e= -87355.05929 s 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 s ii s2p2 5f e= -87344.86646 s 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 s ii s2p2 6f e= -87339.33780 s 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 s ii s2p2 7f e= -87336.01605 s 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 s ii s2p2 8f e= -87333.86698 s 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 s ii s2p2 9f e= -87332.39755 s 2 p 2 p 0 f 0 h 1 k 0 s 0 d 0 s ii s2p2 6h e= -87339.10719 s 2 p 2 p 0 f 0 h 1 k 0 s 0 d 0 s ii s2p2 7h e= -87335.87280 s 2 p 2 p 0 f 0 h 1 k 0 s 0 d 0 s ii s2p2 8h e= -87333.77226 s 2 p 2 p 0 f 0 h 1 k 0 s 0 d 0 s ii s2p2 9h e= -87332.33214 s 2 p 2 p 0 f 0 h 0 k 1 s 0 d 0 s ii s2p2 8k e= -87333.76837 s 2 p 2 p 0 f 0 h 0 k 1 s 0 d 0 s ii s2p2 9k e= -87332.32884 s 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 s ii sp3 4s e= -87308.67669 s 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 s ii sp3 5s e= -87268.47322 s 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 s ii sp3 6s e= -87253.28753 s 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 s ii sp3 7s e= -87245.79047 s 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 s ii sp3 8s e= -87241.52885 s 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 s ii sp3 9s e= -87238.87255 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 s ii sp3 3d e= -87301.57479 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 s ii sp3 4d e= -87265.84893 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 s ii sp3 5d e= -87252.09020 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 s ii sp3 6d e= -87245.14441 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 s ii sp3 7d e= -87241.14017 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 s ii sp3 8d e= -87238.62038 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 s ii sp3 9d e= -87236.93221 s 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 s ii s2p2 4s e= -87404.91247 s 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 s ii s2p2 5s e= -87364.51911 s 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 s ii s2p2 6s e= -87349.28094 s 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 s ii s2p2 7s e= -87341.76656 s 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 s ii s2p2 8s e= -87337.49776 s 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 s ii s2p2 9s e= -87334.83794 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 s ii s2p2 3d e= -87394.41140 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 s ii s2p2 4d e= -87361.15557 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 s ii s2p2 5d e= -87347.78805 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 s ii s2p2 6d e= -87340.97005 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 s ii s2p2 7d e= -87337.02151 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 s ii s2p2 8d e= -87334.53011 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 s ii s2p2 9d e= -87332.85812 s 2 p 2 s 0 d 0 g 1 i 0 p 0 f 0 s ii s2p2 5g e= -87344.53277 s 2 p 2 s 0 d 0 g 1 i 0 p 0 f 0 s ii s2p2 6g e= -87339.15505 s 2 p 2 s 0 d 0 g 1 i 0 p 0 f 0 s ii s2p2 7g e= -87335.90580 s 2 p 2 s 0 d 0 g 1 i 0 p 0 f 0 s ii s2p2 8g e= -87333.79562 s 2 p 2 s 0 d 0 g 1 i 0 p 0 f 0 s ii s2p2 9g e= -87332.34886 s 2 p 2 s 0 d 0 g 0 i 1 p 0 f 0 s ii s2p2 7i e= -87335.86811 s 2 p 2 s 0 d 0 g 0 i 1 p 0 f 0 s ii s2p2 8i e= -87333.76861 s 2 p 2 s 0 d 0 g 0 i 1 p 0 f 0 s ii s2p2 9i e= -87332.32929 s 1 p 4 s 0 d 0 g 0 i 0 p 0 f 0 s ii sp4 e= -87407.93236 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 s ii sp3 4p e= -87290.45569 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 s ii sp3 5p e= -87261.91061 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 s ii sp3 6p e= -87250.15271 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 s ii sp3 7p e= -87244.04965 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 s ii sp3 8p e= -87240.46260 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 s ii sp3 9p e= -87238.17308 s 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 s ii sp3 4f e= -87259.15558 s 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 s ii sp3 5f e= -87248.93992 s 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 s ii sp3 6f e= -87243.39773 s 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 s ii sp3 7f e= -87240.06860 s 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 s ii sp3 8f e= -87237.91556 s 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 s ii sp3 9f e= -87236.44357 s ii s2p3 3 0.00E 52111.61F 503.72z s ii s2p2 4p 7 120806.86E 55701.50F 577.46z 75.13z 10420.23f 3676.27g 3648.79g s ii s2p2 5p 7 148879.94E 56069.42F 583.76z 29.79z 3683.45f 1241.21g 1292.04g s ii s2p2 6p 7 160516.19E 56179.59F 585.72z 14.75z 1724.74f 574.80g 611.18g s ii s2p2 7p 7 166571.25E 56223.25F 586.51z 8.34z 946.16f 314.02g 337.71g s ii s2p2 8p 7 170135.16E 56244.02F 586.90z 5.17z 575.27f 190.55g 206.31g s ii s2p2 9p 7 172412.16E 56255.21F 587.11z 3.42z 376.01f 124.41g 135.29g s ii s2p2 4f 7 151461.62E 56226.27F 586.90z 0.09z 2569.06f 377.28g 244.35g s ii s2p2 5f 7 161654.46E 56238.72F 587.03z 0.05z 1393.62f 317.05g 206.15g s ii s2p2 6f 7 167183.11E 56251.30F 587.18z 0.03z 836.05f 228.20g 148.74g s ii s2p2 7f 7 170504.86E 56259.50F 587.28z 0.02z 538.52f 162.01g 105.76g s ii s2p2 8f 7 172653.94E 56264.66F 587.35z 0.01z 366.15f 116.87g 76.37g s ii s2p2 9f 7 174123.36E 56267.97F 587.39z 0.01z 259.77f 86.23g 56.39g s ii s2p2 6h 7 167413.73E 56276.51F 587.51z 0.01z 182.04f 0.05g 0.03g s ii s2p2 7h 7 170648.11E 56276.50F 587.51z 0.01z 114.65f 0.06g 0.05g s ii s2p2 8h 7 172748.65E 56276.50F 587.51z 0.01z 76.82f 0.06g 0.04g s ii s2p2 9h 7 174188.77E 56276.50F 587.51z 0.00z 53.96f 0.05g 0.04g s ii s2p2 8k 7 172752.54E 56276.52F 587.51z 0.00z 30.17f 0.00g 0.00g s ii s2p2 9k 7 174192.07E 56276.52F 587.51z 0.00z 21.19f 0.00g 0.00g s ii sp3 4s 6 197844.22E 55730.42F 582.58z 77314.97g 3914.37g 4790.40g s ii sp3 5s 6 238047.70E 56388.56F 592.86z 77996.15g 1133.55g 1332.58g s ii sp3 6s 6 253233.39E 56537.51F 595.41z 78156.30g 484.45g 567.81g s ii sp3 7s 6 260730.44E 56590.27F 596.35z 78213.80g 252.71g 296.23g s ii sp3 8s 6 264992.07E 56613.96F 596.78z 78239.75g 148.78g 174.49g s ii sp3 9s 6 267648.36E 56626.23F 597.00z 78253.24g 95.07g 111.54g s ii sp3 3d 9 204946.13E 54315.94F 552.75z 6.00z 36471.73f 75681.73g 30791.39g 44553.09g s ii sp3 3d 26324.72g s ii sp3 4d 9 240671.98E 56278.82F 589.29z 1.53z 7494.82f 77853.37g 5628.79g 6831.47g s ii sp3 4d 4368.18g s ii sp3 5d 9 254430.72E 56495.29F 594.02z 0.71z 3093.28f 78101.97g 2268.41g 2609.89g s ii sp3 5d 1721.28g s ii sp3 6d 9 261376.51E 56567.65F 595.62z 0.39z 1608.91f 78185.05g 1169.76g 1313.10g s ii sp3 6d 879.89g s ii sp3 7d 9 265380.75E 56600.13F 596.34z 0.24z 950.47f 78222.32g 688.35g 762.24g s ii sp3 7d 515.52g s ii sp3 8d 9 267900.53E 56617.09F 596.72z 0.16z 610.21f 78241.77g 441.04g 484.29g s ii sp3 8d 329.47g s ii sp3 9d 9 269588.70E 56626.86F 596.93z 0.11z 415.75f 78252.98g 300.16g 327.76g s ii sp3 9d 223.87g s ii s2p3 -s2p2 4p 2 1984.75 8637.15 s ii s2p3 -s2p2 5p 2 1091.19 4560.31 s ii s2p3 -s2p2 6p 2 723.10 2967.44 s ii s2p3 -s2p2 7p 2 526.66 2139.86 s ii s2p3 -s2p2 8p 2 406.58 1641.98 s ii s2p3 -s2p2 9p 2 326.60 1313.73 s ii s2p3 -s2p2 4f 1 -3670.21 s ii s2p3 -s2p2 5f 1 -3444.91 s ii s2p3 -s2p2 6f 1 -2956.78 s ii s2p3 -s2p2 7f 1 -2507.96 s ii s2p3 -s2p2 8f 1 -2139.08 s ii s2p3 -s2p2 9f 1 -1842.61 s ii s2p3 -sp3 4s 3 4237.88 3540.94 744.56 s ii s2p3 -sp3 5s 3 2191.69 1641.68 354.83 s ii s2p3 -sp3 6s 3 1406.15 993.58 216.94 s ii s2p3 -sp3 7s 3 1005.37 687.23 150.86 s ii s2p3 -sp3 8s 3 766.77 513.62 113.11 s ii s2p3 -sp3 9s 3 610.56 403.63 89.07 s ii s2p3 -sp3 3d 2 56062.58 40475.41 s ii s2p3 -sp3 4d 2 21912.40 17064.98 s ii s2p3 -sp3 5d 2 13329.82 10665.36 s ii s2p3 -sp3 6d 2 9361.40 7586.94 s ii s2p3 -sp3 7d 2 7087.79 5785.67 s ii s2p3 -sp3 8d 2 5626.19 4613.05 s ii s2p3 -sp3 9d 2 4615.18 3795.29 s ii s2p2 4p -s2p2 5p 4 0.00 4920.12 2127.35 2151.73 s ii s2p2 4p -s2p2 6p 4 0.00 3140.80 1441.78 1467.11 s ii s2p2 4p -s2p2 7p 4 0.00 2249.07 1062.85 1084.44 s ii s2p2 4p -s2p2 8p 4 0.00 1719.69 826.51 844.50 s ii s2p2 4p -s2p2 9p 4 0.00 1372.90 667.06 682.14 s ii s2p2 4p -s2p2 4f 2 3268.46 -72.15 s ii s2p2 4p -s2p2 5f 2 2314.73 -104.38 s ii s2p2 4p -s2p2 6f 2 1705.06 -106.18 s ii s2p2 4p -s2p2 7f 2 1315.83 -98.50 s ii s2p2 4p -s2p2 8f 2 1053.58 -88.69 s ii s2p2 4p -s2p2 9f 2 867.93 -79.18 s ii s2p2 4p -sp3 4s 2 20187.21 3601.39 s ii s2p2 4p -sp3 5s 2 4194.77 1902.31 s ii s2p2 4p -sp3 6s 2 2364.81 1230.71 s ii s2p2 4p -sp3 7s 2 1594.83 883.74 s ii s2p2 4p -sp3 8s 2 1177.62 675.73 s ii s2p2 4p -sp3 9s 2 918.87 538.94 s ii s2p2 4p -sp3 3d 2 -251.61 6561.79 s ii s2p2 4p -sp3 4d 2 10820.29 3468.42 s ii s2p2 4p -sp3 5d 2 7067.09 2312.93 s ii s2p2 4p -sp3 6d 2 5090.67 1696.42 s ii s2p2 4p -sp3 7d 2 3901.43 1316.04 s ii s2p2 4p -sp3 8d 2 3117.81 1060.57 s ii s2p2 4p -sp3 9d 2 2567.94 878.80 s ii s2p2 5p -s2p2 6p 4 0.00 2281.39 844.06 887.34 s ii s2p2 5p -s2p2 7p 4 0.00 1628.10 623.29 658.35 s ii s2p2 5p -s2p2 8p 4 0.00 1244.12 485.18 513.81 s ii s2p2 5p -s2p2 9p 4 0.00 993.27 391.83 415.62 s ii s2p2 5p -s2p2 4f 2 551.14 11.64 s ii s2p2 5p -s2p2 5f 2 999.12 -9.18 s ii s2p2 5p -s2p2 6f 2 875.42 -17.04 s ii s2p2 5p -s2p2 7f 2 729.89 -19.14 s ii s2p2 5p -s2p2 8f 2 610.79 -18.93 s ii s2p2 5p -s2p2 9f 2 517.72 -17.86 s ii s2p2 5p -sp3 4s 2 9635.36 2124.08 s ii s2p2 5p -sp3 5s 2 7335.44 1130.30 s ii s2p2 5p -sp3 6s 2 2387.50 733.31 s ii s2p2 5p -sp3 7s 2 1535.91 527.30 s ii s2p2 5p -sp3 8s 2 1111.87 403.50 s ii s2p2 5p -sp3 9s 2 858.68 321.98 s ii s2p2 5p -sp3 3d 2 414.86 3437.16 s ii s2p2 5p -sp3 4d 2 1014.15 1889.11 s ii s2p2 5p -sp3 5d 2 3932.02 1274.56 s ii s2p2 5p -sp3 6d 2 3018.43 939.97 s ii s2p2 5p -sp3 7d 2 2370.31 731.46 s ii s2p2 5p -sp3 8d 2 1918.38 590.59 s ii s2p2 5p -sp3 9d 2 1592.26 490.00 s ii s2p2 6p -s2p2 7p 4 0.00 1211.97 424.77 454.14 s ii s2p2 6p -s2p2 8p 4 0.00 924.35 330.79 354.75 s ii s2p2 6p -s2p2 9p 4 0.00 737.65 267.22 287.12 s ii s2p2 6p -s2p2 4f 2 367.34 22.30 s ii s2p2 6p -s2p2 5f 2 365.29 7.66 s ii s2p2 6p -s2p2 6f 2 451.63 0.51 s ii s2p2 6p -s2p2 7f 2 412.91 -2.67 s ii s2p2 6p -s2p2 8f 2 360.98 -4.01 s ii s2p2 6p -s2p2 9f 2 313.87 -4.49 s ii s2p2 6p -sp3 4s 2 6174.23 1452.05 s ii s2p2 6p -sp3 5s 2 4425.53 775.10 s ii s2p2 6p -sp3 6s 2 3429.64 503.47 s ii s2p2 6p -sp3 7s 2 1427.85 362.24 s ii s2p2 6p -sp3 8s 2 995.47 277.29 s ii s2p2 6p -sp3 9s 2 756.26 221.32 s ii s2p2 6p -sp3 3d 2 349.98 2228.87 s ii s2p2 6p -sp3 4d 2 776.42 1246.36 s ii s2p2 6p -sp3 5d 2 710.55 845.22 s ii s2p2 6p -sp3 6d 2 1821.05 624.83 s ii s2p2 6p -sp3 7d 2 1515.49 486.87 s ii s2p2 6p -sp3 8d 2 1254.82 393.44 s ii s2p2 6p -sp3 9d 2 1054.11 326.60 s ii s2p2 7p -s2p2 8p 4 0.00 715.10 244.60 263.92 s ii s2p2 7p -s2p2 9p 4 0.00 569.96 197.62 213.67 s ii s2p2 7p -s2p2 4f 2 258.11 21.90 s ii s2p2 7p -s2p2 5f 2 266.20 10.91 s ii s2p2 7p -s2p2 6f 2 237.06 4.95 s ii s2p2 7p -s2p2 7f 2 250.36 1.94 s ii s2p2 7p -s2p2 8f 2 229.81 0.40 s ii s2p2 7p -s2p2 9f 2 204.93 -0.41 s ii s2p2 7p -sp3 4s 2 4432.55 1075.40 s ii s2p2 7p -sp3 5s 2 3137.53 574.98 s ii s2p2 7p -sp3 6s 2 2330.34 373.72 s ii s2p2 7p -sp3 7s 2 1868.59 268.97 s ii s2p2 7p -sp3 8s 2 909.34 205.93 s ii s2p2 7p -sp3 9s 2 669.79 164.38 s ii s2p2 7p -sp3 3d 2 277.95 1604.32 s ii s2p2 7p -sp3 4d 2 563.40 905.54 s ii s2p2 7p -sp3 5d 2 562.43 615.78 s ii s2p2 7p -sp3 6d 2 465.91 455.80 s ii s2p2 7p -sp3 7d 2 979.29 355.41 s ii s2p2 7p -sp3 8d 2 854.55 287.33 s ii s2p2 7p -sp3 9d 2 733.13 238.59 s ii s2p2 8p -s2p2 9p 4 0.00 455.86 153.96 167.06 s ii s2p2 8p -s2p2 4f 2 194.46 19.52 s ii s2p2 8p -s2p2 5f 2 200.77 10.89 s ii s2p2 8p -s2p2 6f 2 182.84 5.94 s ii s2p2 8p -s2p2 7f 2 158.96 3.30 s ii s2p2 8p -s2p2 8f 2 156.09 1.84 s ii s2p2 8p -s2p2 9f 2 142.89 1.01 s ii s2p2 8p -sp3 4s 2 3395.01 838.60 s ii s2p2 8p -sp3 5s 2 2391.82 448.79 s ii s2p2 8p -sp3 6s 2 1760.67 291.81 s ii s2p2 8p -sp3 7s 2 1365.79 210.06 s ii s2p2 8p -sp3 8s 2 1127.00 160.84 s ii s2p2 8p -sp3 9s 2 611.12 128.40 s ii s2p2 8p -sp3 3d 2 224.43 1229.70 s ii s2p2 8p -sp3 4d 2 430.44 698.01 s ii s2p2 8p -sp3 5d 2 429.96 475.44 s ii s2p2 8p -sp3 6d 2 385.16 352.19 s ii s2p2 8p -sp3 7d 2 313.81 274.74 s ii s2p2 8p -sp3 8d 2 583.11 222.18 s ii s2p2 8p -sp3 9d 2 524.63 184.52 s ii s2p2 9p -s2p2 4f 2 153.57 17.04 s ii s2p2 9p -s2p2 5f 2 158.54 10.03 s ii s2p2 9p -s2p2 6f 2 144.47 5.88 s ii s2p2 9p -s2p2 7f 2 127.51 3.59 s ii s2p2 9p -s2p2 8f 2 110.67 2.28 s ii s2p2 9p -s2p2 9f 2 104.89 1.50 s ii s2p2 9p -sp3 4s 2 2713.53 678.03 s ii s2p2 9p -sp3 5s 2 1907.58 363.09 s ii s2p2 9p -sp3 6s 2 1399.27 236.14 s ii s2p2 9p -sp3 7s 2 1077.98 170.01 s ii s2p2 9p -sp3 8s 2 865.66 130.18 s ii s2p2 9p -sp3 9s 2 730.82 103.93 s ii s2p2 9p -sp3 3d 2 185.39 983.16 s ii s2p2 9p -sp3 4d 2 342.55 560.12 s ii s2p2 9p -sp3 5d 2 340.98 381.93 s ii s2p2 9p -sp3 6d 2 307.00 283.07 s ii s2p2 9p -sp3 7d 2 268.14 220.88 s ii s2p2 9p -sp3 8d 2 219.20 178.65 s ii s2p2 9p -sp3 9d 2 373.78 148.39 s ii s2p2 4f -s2p2 5f 4 0.00 1539.93 345.33 224.03 s ii s2p2 4f -s2p2 6f 4 0.00 1095.85 292.39 189.82 s ii s2p2 4f -s2p2 7f 4 0.00 838.00 245.96 159.75 s ii s2p2 4f -s2p2 8f 4 0.00 669.78 208.65 135.55 s ii s2p2 4f -s2p2 9f 4 0.00 552.07 179.06 116.34 s ii s2p2 4f -s2p2 6h 2 285.48 2.70 s ii s2p2 4f -s2p2 7h 2 278.31 3.13 s ii s2p2 4f -s2p2 8h 2 248.75 3.11 s ii s2p2 4f -s2p2 9h 2 218.77 2.93 s ii s2p2 4f -sp3 3d 2 -8019.62 -2766.30 s ii s2p2 4f -sp3 4d 2 4513.40 -979.70 s ii s2p2 4f -sp3 5d 2 992.67 -576.66 s ii s2p2 4f -sp3 6d 2 600.31 -397.85 s ii s2p2 4f -sp3 7d 2 421.62 -298.02 s ii s2p2 4f -sp3 8d 2 319.96 -234.92 s ii s2p2 4f -sp3 9d 2 254.67 -191.79 s ii s2p2 5f -s2p2 6f 4 0.00 995.52 268.87 175.02 s ii s2p2 5f -s2p2 7f 4 0.00 767.20 226.39 147.46 s ii s2p2 5f -s2p2 8f 4 0.00 616.43 192.17 125.22 s ii s2p2 5f -s2p2 9f 4 0.00 509.99 164.99 107.53 s ii s2p2 5f -s2p2 6h 2 -73.78 2.36 s ii s2p2 5f -s2p2 7h 2 3.02 2.75 s ii s2p2 5f -s2p2 8h 2 31.79 2.73 s ii s2p2 5f -s2p2 9h 2 42.02 2.57 s ii s2p2 5f -sp3 3d 2 -6772.16 -2602.43 s ii s2p2 5f -sp3 4d 2 1108.57 -935.18 s ii s2p2 5f -sp3 5d 2 2248.34 -552.98 s ii s2p2 5f -sp3 6d 2 702.98 -382.39 s ii s2p2 5f -sp3 7d 2 467.95 -286.82 s ii s2p2 5f -sp3 8d 2 346.82 -226.28 s ii s2p2 5f -sp3 9d 2 272.67 -184.84 s ii s2p2 6f -s2p2 7f 4 0.00 644.05 192.25 125.40 s ii s2p2 6f -s2p2 8f 4 0.00 519.26 163.24 106.53 s ii s2p2 6f -s2p2 9f 4 0.00 430.71 140.18 91.51 s ii s2p2 6f -s2p2 6h 2 -1.60 1.95 s ii s2p2 6f -s2p2 7h 2 -34.35 2.27 s ii s2p2 6f -s2p2 8h 2 -17.70 2.25 s ii s2p2 6f -s2p2 9h 2 -6.29 2.12 s ii s2p2 6f -sp3 3d 2 -5522.81 -2236.09 s ii s2p2 6f -sp3 4d 2 230.98 -809.60 s ii s2p2 6f -sp3 5d 2 1112.35 -479.85 s ii s2p2 6f -sp3 6d 2 1249.84 -332.21 s ii s2p2 6f -sp3 7d 2 483.54 -249.35 s ii s2p2 6f -sp3 8d 2 343.08 -196.81 s ii s2p2 6f -sp3 9d 2 264.36 -160.81 s ii s2p2 7f -s2p2 8f 4 0.00 433.59 137.59 89.86 s ii s2p2 7f -s2p2 9f 4 0.00 360.24 118.17 77.21 s ii s2p2 7f -s2p2 6h 2 -0.65 1.62 s ii s2p2 7f -s2p2 7h 2 -1.66 1.88 s ii s2p2 7f -s2p2 8h 2 -16.67 1.87 s ii s2p2 7f -s2p2 9h 2 -13.16 1.76 s ii s2p2 7f -sp3 3d 2 -4548.68 -1897.83 s ii s2p2 7f -sp3 4d 2 -74.09 -690.20 s ii s2p2 7f -sp3 5d 2 653.28 -409.65 s ii s2p2 7f -sp3 6d 2 771.45 -283.81 s ii s2p2 7f -sp3 7d 2 760.46 -213.11 s ii s2p2 7f -sp3 8d 2 340.04 -168.25 s ii s2p2 7f -sp3 9d 2 252.65 -137.50 s ii s2p2 8f -s2p2 9f 4 0.00 303.76 100.39 65.62 s ii s2p2 8f -s2p2 6h 2 -0.22 1.36 s ii s2p2 8f -s2p2 7h 2 -0.95 1.58 s ii s2p2 8f -s2p2 8h 2 -1.48 1.57 s ii s2p2 8f -s2p2 9h 2 -8.80 1.48 s ii s2p2 8f -sp3 3d 2 -3807.60 -1619.33 s ii s2p2 8f -sp3 4d 2 -189.54 -590.62 s ii s2p2 8f -sp3 5d 2 422.26 -350.87 s ii s2p2 8f -sp3 6d 2 534.93 -243.19 s ii s2p2 8f -sp3 7d 2 525.89 -182.66 s ii s2p2 8f -sp3 8d 2 495.29 -144.23 s ii s2p2 8f -sp3 9d 2 246.12 -117.88 s ii s2p2 9f -s2p2 6h 2 -0.08 1.16 s ii s2p2 9f -s2p2 7h 2 -0.52 1.35 s ii s2p2 9f -s2p2 8h 2 -0.99 1.34 s ii s2p2 9f -s2p2 9h 2 -1.24 1.26 s ii s2p2 9f -sp3 3d 2 -3238.14 -1395.27 s ii s2p2 9f -sp3 4d 2 -230.92 -509.91 s ii s2p2 9f -sp3 5d 2 291.62 -303.11 s ii s2p2 9f -sp3 6d 2 396.17 -210.16 s ii s2p2 9f -sp3 7d 2 395.33 -157.87 s ii s2p2 9f -sp3 8d 2 367.34 -124.68 s ii s2p2 9f -sp3 9d 2 339.89 -101.91 s ii s2p2 6h -s2p2 7h 4 0.00 103.79 0.05 0.04 s ii s2p2 6h -s2p2 8h 4 0.00 73.00 0.05 0.04 s ii s2p2 6h -s2p2 9h 4 0.00 55.89 0.05 0.04 s ii s2p2 6h -s2p2 8k 2 41.24 0.00 s ii s2p2 6h -s2p2 9k 2 41.05 0.00 s ii s2p2 7h -s2p2 8h 4 0.00 80.13 0.06 0.05 s ii s2p2 7h -s2p2 9h 4 0.00 61.68 0.06 0.04 s ii s2p2 7h -s2p2 8k 2 -9.00 0.00 s ii s2p2 7h -s2p2 9k 2 6.57 0.00 s ii s2p2 8h -s2p2 9h 4 0.00 58.75 0.06 0.04 s ii s2p2 8h -s2p2 8k 2 0.00 0.00 s ii s2p2 8h -s2p2 9k 2 -5.37 0.00 s ii s2p2 9h -s2p2 8k 2 0.12 0.00 s ii s2p2 9h -s2p2 9k 2 0.00 0.00 s ii s2p2 8k -s2p2 9k 4 0.00 16.42 0.00 0.00 s ii sp3 4s -sp3 5s 4 0.00 2099.50 0.00 2481.21 s ii sp3 4s -sp3 6s 4 0.00 1368.19 0.00 1598.44 s ii sp3 4s -sp3 7s 4 0.00 986.23 0.00 1145.98 s ii sp3 4s -sp3 8s 4 0.00 755.79 0.00 875.56 s ii sp3 4s -sp3 9s 4 0.00 603.66 0.00 698.00 s ii sp3 4s -sp3 3d 2 -4660.74 353.96 s ii sp3 4s -sp3 4d 2 3720.98 1632.54 s ii sp3 4s -sp3 5d 2 3188.28 1289.88 s ii sp3 4s -sp3 6d 2 2533.49 1008.90 s ii sp3 4s -sp3 7d 2 2040.46 808.63 s ii sp3 4s -sp3 8d 2 1679.14 664.27 s ii sp3 4s -sp3 9d 2 1409.56 557.25 s ii sp3 5s -sp3 6s 4 0.00 740.65 0.00 868.26 s ii sp3 5s -sp3 7s 4 0.00 534.58 0.00 625.79 s ii sp3 5s -sp3 8s 4 0.00 409.98 0.00 479.53 s ii sp3 5s -sp3 9s 4 0.00 327.61 0.00 382.98 s ii sp3 5s -sp3 3d 2 -1906.73 -41.30 s ii sp3 5s -sp3 4d 2 -310.30 689.91 s ii sp3 5s -sp3 5d 2 779.33 570.51 s ii sp3 5s -sp3 6d 2 811.98 454.00 s ii sp3 5s -sp3 7d 2 721.48 367.13 s ii sp3 5s -sp3 8d 2 624.15 303.19 s ii sp3 5s -sp3 9d 2 539.81 255.22 s ii sp3 6s -sp3 7s 4 0.00 349.84 0.00 409.95 s ii sp3 6s -sp3 8s 4 0.00 268.38 0.00 314.45 s ii sp3 6s -sp3 9s 4 0.00 214.50 0.00 251.29 s ii sp3 6s -sp3 3d 2 -1184.89 -92.85 s ii sp3 6s -sp3 4d 2 -157.24 404.33 s ii sp3 6s -sp3 5d 2 40.20 342.37 s ii sp3 6s -sp3 6d 2 280.83 274.74 s ii sp3 6s -sp3 7d 2 302.68 223.09 s ii sp3 6s -sp3 8d 2 282.53 184.69 s ii sp3 6s -sp3 9d 2 254.36 155.71 s ii sp3 7s -sp3 8s 4 0.00 193.89 0.00 227.32 s ii sp3 7s -sp3 9s 4 0.00 154.98 0.00 181.71 s ii sp3 7s -sp3 3d 2 -840.47 -91.73 s ii sp3 7s -sp3 4d 2 -119.60 275.25 s ii sp3 7s -sp3 5d 2 36.57 236.29 s ii sp3 7s -sp3 6d 2 71.03 190.50 s ii sp3 7s -sp3 7d 2 138.52 155.05 s ii sp3 7s -sp3 8d 2 145.76 128.53 s ii sp3 7s -sp3 9d 2 138.27 108.46 s ii sp3 8s -sp3 9s 4 0.00 118.93 0.00 139.50 s ii sp3 8s -sp3 3d 2 -639.34 -81.41 s ii sp3 8s -sp3 4d 2 -95.94 203.82 s ii sp3 8s -sp3 5d 2 23.17 176.47 s ii sp3 8s -sp3 6d 2 56.13 142.68 s ii sp3 8s -sp3 7d 2 60.10 116.29 s ii sp3 8s -sp3 8d 2 81.45 96.48 s ii sp3 8s -sp3 9d 2 82.87 81.45 s ii sp3 9s -sp3 3d 2 -508.53 -70.65 s ii sp3 9s -sp3 4d 2 -79.13 159.22 s ii sp3 9s -sp3 5d 2 15.44 138.64 s ii sp3 9s -sp3 6d 2 42.23 112.30 s ii sp3 9s -sp3 7d 2 48.42 91.61 s ii sp3 9s -sp3 8d 2 46.18 76.05 s ii sp3 9s -sp3 9d 2 53.10 64.23 s ii sp3 3d -sp3 4d 6 0.00 12944.79 0.00 11997.42 16718.79 10262.47 s ii sp3 3d -sp3 5d 6 0.00 8105.36 0.00 6936.46 10035.46 6226.96 s ii sp3 3d -sp3 6d 6 0.00 5772.42 0.00 4756.64 7000.14 4363.38 s ii sp3 3d -sp3 7d 6 0.00 4405.08 0.00 3553.74 5279.09 3298.32 s ii sp3 3d -sp3 8d 6 0.00 3513.93 0.00 2797.75 4179.95 2615.15 s ii sp3 3d -sp3 9d 6 0.00 2891.97 0.00 2282.47 3422.99 2143.42 s ii sp3 4d -sp3 5d 6 0.00 3566.00 0.00 4316.04 4206.43 2728.94 s ii sp3 4d -sp3 6d 6 0.00 2554.32 0.00 2977.98 2970.12 1939.78 s ii sp3 4d -sp3 7d 6 0.00 1955.72 0.00 2233.62 2255.33 1478.34 s ii sp3 4d -sp3 8d 6 0.00 1563.33 0.00 1762.69 1793.42 1178.19 s ii sp3 4d -sp3 9d 6 0.00 1288.43 0.00 1440.21 1472.85 969.01 s ii sp3 5d -sp3 6d 6 0.00 1628.14 0.00 2119.89 1849.60 1229.26 s ii sp3 5d -sp3 7d 6 0.00 1248.04 0.00 1592.16 1407.39 939.35 s ii sp3 5d -sp3 8d 6 0.00 998.37 0.00 1258.08 1120.60 749.89 s ii sp3 5d -sp3 9d 6 0.00 823.21 0.00 1028.91 921.09 617.45 s ii sp3 6d -sp3 7d 6 0.00 897.18 0.00 1202.44 1000.16 673.25 s ii sp3 6d -sp3 8d 6 0.00 717.96 0.00 950.42 796.85 537.90 s ii sp3 6d -sp3 9d 6 0.00 592.14 0.00 777.69 655.26 443.14 s ii sp3 7d -sp3 8d 6 0.00 550.95 0.00 748.68 607.50 412.07 s ii sp3 7d -sp3 9d 6 0.00 454.47 0.00 612.61 499.68 339.58 s ii sp3 8d -sp3 9d 6 0.00 363.84 0.00 498.09 398.39 271.57 s ii s2p2 4s 4 101608.44E 55323.45F 572.06z 4742.68g s ii s2p2 5s 4 142001.80E 56009.83F 582.80z 1338.10g s ii s2p2 6s 4 157239.97E 56163.60F 585.46z 572.80g s ii s2p2 7s 4 164754.35E 56217.58F 586.43z 299.35g s ii s2p2 8s 4 169023.15E 56241.74F 586.87z 176.48g s ii s2p2 9s 4 171682.97E 56254.25F 587.10z 112.87g s ii s2p2 3d 7 112109.52E 53942.61F 543.31z 5.31z 34898.23f 42321.81g 24945.56g s ii s2p2 4d 7 145365.35E 55879.73F 578.87z 1.48z 7616.35f 7125.64g 4528.25g s ii s2p2 5d 7 158732.87E 56114.44F 583.94z 0.68z 3135.38f 2715.01g 1778.47g s ii s2p2 6d 7 165550.86E 56191.98F 585.64z 0.38z 1627.71f 1362.38g 906.50g s ii s2p2 7d 7 169499.40E 56226.44F 586.40z 0.23z 960.59f 789.60g 530.22g s ii s2p2 8d 7 171990.80E 56244.29F 586.79z 0.15z 616.40f 501.23g 338.55g s ii s2p2 9d 7 173662.79E 56254.52F 587.02z 0.10z 419.88f 339.06g 229.92g s ii s2p2 5g 7 161988.15E 56275.65F 587.50z 0.04z 577.80f 4.76g 3.33g s ii s2p2 6g 7 167365.87E 56275.62F 587.50z 0.02z 335.68f 5.05g 3.54g s ii s2p2 7g 7 170615.11E 56275.79F 587.50z 0.01z 212.22f 4.24g 2.97g s ii s2p2 8g 7 172725.29E 56275.96F 587.50z 0.01z 142.67f 3.36g 2.36g s ii s2p2 9g 7 174172.06E 56276.09F 587.50z 0.00z 100.51f 2.63g 1.85g s ii s2p2 7i 7 170652.80E 56276.51F 587.51z 0.01z 69.28f 0.00g 0.00g s ii s2p2 8i 7 172752.30E 56276.52F 587.51z 0.00z 46.42f 0.00g 0.00g s ii s2p2 9i 7 174191.62E 56276.52F 587.51z 0.00z 32.60f 0.00g 0.00g s ii sp4 4 98588.55E 52676.42F 516.71z 73700.64g s ii sp3 4p 9 216065.22E 56088.06F 587.67z 76.84z 10542.85f 77680.44g 4657.47g 3660.54g s ii sp3 4p 3659.71g s ii sp3 5p 9 244610.30E 56443.58F 593.74z 30.27z 3704.21f 78055.81g 1607.97g 1231.63g s ii sp3 5p 1289.85g s ii sp3 6p 9 256368.20E 56551.48F 595.64z 14.91z 1726.94f 78171.77g 749.99g 568.13g s ii sp3 6p 607.46g s ii sp3 7p 9 262471.26E 56594.74F 596.42z 8.41z 944.70f 78218.80g 411.02g 309.52g s ii sp3 7p 334.65g s ii sp3 8p 9 266058.32E 56615.47F 596.80z 5.20z 573.32f 78241.48g 249.82g 187.47g s ii sp3 8p 204.04g s ii sp3 9p 9 268347.83E 56626.67F 597.01z 3.43z 374.24f 78253.77g 163.26g 122.23g s ii sp3 9p 133.61g s ii sp3 4f 9 247365.34E 56596.42F 596.79z 0.09z 2564.82f 78227.63g 158.01g 378.18g s ii sp3 4f 244.95g s ii sp3 5f 9 257580.99E 56608.25F 596.90z 0.05z 1402.68f 78238.26g 142.73g 321.83g s ii sp3 5f 209.29g s ii sp3 6f 9 263123.18E 56620.97F 597.05z 0.03z 844.82f 78250.41g 106.43g 232.83g s ii sp3 6f 151.78g s ii sp3 7f 9 266452.32E 56629.53F 597.16z 0.02z 545.16f 78258.76g 77.07g 165.64g s ii sp3 7f 108.14g s ii sp3 8f 9 268605.36E 56635.02F 597.23z 0.01z 370.94f 78264.19g 56.27g 119.57g s ii sp3 8f 78.15g s ii sp3 9f 9 270077.34E 56638.61F 597.27z 0.01z 263.23f 78267.76g 41.85g 88.23g s ii sp3 9f 57.71g s ii s2p2 4s -s2p2 5s 2 0.00 2472.70 s ii s2p2 4s -s2p2 6s 2 0.00 1596.08 s ii s2p2 4s -s2p2 7s 2 0.00 1145.04 s ii s2p2 4s -s2p2 8s 2 0.00 875.10 s ii s2p2 4s -s2p2 9s 2 0.00 697.75 s ii s2p2 4s -s2p2 3d 2 -4951.69 228.30 s ii s2p2 4s -s2p2 4d 2 3439.18 1577.49 s ii s2p2 4s -s2p2 5d 2 3040.13 1261.28 s ii s2p2 4s -s2p2 6d 2 2435.94 989.73 s ii s2p2 4s -s2p2 7d 2 1969.23 794.42 s ii s2p2 4s -s2p2 8d 2 1623.98 653.15 s ii s2p2 4s -s2p2 9d 2 1365.15 548.25 s ii s2p2 4s -sp4 1 4176.25 s ii s2p2 4s -sp3 4p 2 20486.45 3485.29 s ii s2p2 4s -sp3 5p 2 9577.66 2183.78 s ii s2p2 4s -sp3 6p 2 6092.62 1523.65 s ii s2p2 4s -sp3 7p 2 4357.25 1139.27 s ii s2p2 4s -sp3 8p 2 3329.72 893.13 s ii s2p2 4s -sp3 9p 2 2657.35 724.47 s ii s2p2 5s -s2p2 6s 2 0.00 873.83 s ii s2p2 5s -s2p2 7s 2 0.00 630.31 s ii s2p2 5s -s2p2 8s 2 0.00 483.19 s ii s2p2 5s -s2p2 9s 2 0.00 385.99 s ii s2p2 5s -s2p2 3d 2 -2014.36 -101.98 s ii s2p2 5s -s2p2 4d 2 -413.27 661.88 s ii s2p2 5s -s2p2 5d 2 705.26 556.55 s ii s2p2 5s -s2p2 6d 2 761.13 444.97 s ii s2p2 5s -s2p2 7d 2 683.76 360.59 s ii s2p2 5s -s2p2 8d 2 594.67 298.15 s ii s2p2 5s -s2p2 9d 2 515.91 251.18 s ii s2p2 5s -sp4 1 1931.89 s ii s2p2 5s -sp3 4p 2 4608.26 1776.54 s ii s2p2 5s -sp3 5p 2 7523.74 1130.84 s ii s2p2 5s -sp3 6p 2 4468.06 794.06 s ii s2p2 5s -sp3 7p 2 3148.86 595.69 s ii s2p2 5s -sp3 8p 2 2392.62 467.89 s ii s2p2 5s -sp3 9p 2 1904.29 380.00 s ii s2p2 6s -s2p2 7s 2 0.00 413.91 s ii s2p2 6s -s2p2 8s 2 0.00 317.61 s ii s2p2 6s -s2p2 9s 2 0.00 253.88 s ii s2p2 6s -s2p2 3d 2 -1248.03 -130.30 s ii s2p2 6s -s2p2 4d 2 -217.43 386.03 s ii s2p2 6s -s2p2 5d 2 -2.34 333.31 s ii s2p2 6s -s2p2 6d 2 248.19 268.92 s ii s2p2 6s -s2p2 7d 2 277.84 218.91 s ii s2p2 6s -s2p2 8d 2 262.87 181.48 s ii s2p2 6s -s2p2 9d 2 238.30 153.15 s ii s2p2 6s -sp4 1 1175.34 s ii s2p2 6s -sp3 4p 2 2610.48 1134.32 s ii s2p2 6s -sp3 5p 2 2580.70 726.32 s ii s2p2 6s -sp3 6p 2 3535.71 511.23 s ii s2p2 6s -sp3 7p 2 2372.32 383.99 s ii s2p2 6s -sp3 8p 2 1783.37 301.83 s ii s2p2 6s -sp3 9p 2 1413.22 245.25 s ii s2p2 7s -s2p2 8s 2 0.00 229.81 s ii s2p2 7s -s2p2 9s 2 0.00 183.75 s ii s2p2 7s -s2p2 3d 2 -883.39 -117.90 s ii s2p2 7s -s2p2 4d 2 -161.59 261.93 s ii s2p2 7s -s2p2 5d 2 7.72 229.68 s ii s2p2 7s -s2p2 6d 2 48.74 186.26 s ii s2p2 7s -s2p2 7d 2 120.67 152.00 s ii s2p2 7s -s2p2 8d 2 131.42 126.19 s ii s2p2 7s -s2p2 9d 2 126.48 106.59 s ii s2p2 7s -sp4 1 816.04 s ii s2p2 7s -sp3 4p 2 1764.86 809.09 s ii s2p2 7s -sp3 5p 2 1664.33 519.60 s ii s2p2 7s -sp3 6p 2 1530.28 366.17 s ii s2p2 7s -sp3 7p 2 1931.99 275.20 s ii s2p2 7s -sp3 8p 2 1397.43 216.39 s ii s2p2 7s -sp3 9p 2 1098.13 175.87 s ii s2p2 8s -s2p2 9s 2 0.00 141.13 s ii s2p2 8s -s2p2 3d 2 -671.06 -101.07 s ii s2p2 8s -s2p2 4d 2 -127.59 193.54 s ii s2p2 8s -s2p2 5d 2 1.50 171.36 s ii s2p2 8s -s2p2 6d 2 39.74 139.40 s ii s2p2 8s -s2p2 7d 2 46.84 113.94 s ii s2p2 8s -s2p2 8d 2 70.51 94.67 s ii s2p2 8s -s2p2 9d 2 73.79 80.01 s ii s2p2 8s -sp4 1 611.47 s ii s2p2 8s -sp3 4p 2 1305.03 616.26 s ii s2p2 8s -sp3 5p 2 1206.92 396.44 s ii s2p2 8s -sp3 6p 2 1068.59 279.56 s ii s2p2 8s -sp3 7p 2 969.62 210.18 s ii s2p2 8s -sp3 8p 2 1167.51 165.30 s ii s2p2 8s -sp3 9p 2 888.80 134.36 s ii s2p2 9s -s2p2 3d 2 -533.26 -86.14 s ii s2p2 9s -s2p2 4d 2 -104.17 150.98 s ii s2p2 9s -s2p2 5d 2 -1.69 134.53 s ii s2p2 9s -s2p2 6d 2 29.33 109.67 s ii s2p2 9s -s2p2 7d 2 38.14 89.72 s ii s2p2 9s -s2p2 8d 2 37.62 74.60 s ii s2p2 9s -s2p2 9d 2 45.88 63.07 s ii s2p2 9s -sp4 1 481.39 s ii s2p2 9s -sp3 4p 2 1019.22 490.32 s ii s2p2 9s -sp3 5p 2 933.12 315.75 s ii s2p2 9s -sp3 6p 2 812.87 222.76 s ii s2p2 9s -sp3 7p 2 714.98 167.51 s ii s2p2 9s -sp3 8p 2 649.48 131.76 s ii s2p2 9s -sp3 9p 2 758.17 107.11 s ii s2p2 3d -s2p2 4d 4 0.00 11960.42 16675.23 10191.57 s ii s2p2 3d -s2p2 5d 4 0.00 6883.51 10000.34 6177.14 s ii s2p2 3d -s2p2 6d 4 0.00 4706.47 6967.65 4323.13 s ii s2p2 3d -s2p2 7d 4 0.00 3510.22 5250.94 3265.47 s ii s2p2 3d -s2p2 8d 4 0.00 2760.62 4156.03 2588.01 s ii s2p2 3d -s2p2 9d 4 0.00 2250.72 3402.69 2120.69 s ii s2p2 3d -s2p2 5g 2 746.85 231.78 s ii s2p2 3d -s2p2 6g 2 745.13 243.54 s ii s2p2 3d -s2p2 7g 2 670.62 225.69 s ii s2p2 3d -s2p2 8g 2 590.27 202.35 s ii s2p2 3d -s2p2 9g 2 518.45 179.98 s ii s2p2 3d -sp4 1 53862.96 s ii s2p2 3d -sp3 4p 2 -1500.77 9695.36 s ii s2p2 3d -sp3 5p 2 -83.28 5218.97 s ii s2p2 3d -sp3 6p 2 45.24 3424.73 s ii s2p2 3d -sp3 7p 2 63.42 2480.77 s ii s2p2 3d -sp3 8p 2 61.73 1908.75 s ii s2p2 3d -sp3 9p 2 56.06 1529.82 s ii s2p2 3d -sp3 4f 2 -8378.95 -1932.22 s ii s2p2 3d -sp3 5f 2 -7043.92 -1852.45 s ii s2p2 3d -sp3 6f 2 -5730.18 -1605.97 s ii s2p2 3d -sp3 7f 2 -4710.92 -1369.58 s ii s2p2 3d -sp3 8f 2 -3937.74 -1171.87 s ii s2p2 3d -sp3 9f 2 -3344.91 -1011.46 s ii s2p2 4d -s2p2 5d 4 0.00 4392.61 4381.54 2824.19 s ii s2p2 4d -s2p2 6d 4 0.00 3028.16 3089.56 2004.50 s ii s2p2 4d -s2p2 7d 4 0.00 2269.86 2344.12 1526.32 s ii s2p2 4d -s2p2 8d 4 0.00 1790.66 1863.15 1215.81 s ii s2p2 4d -s2p2 9d 4 0.00 1462.81 1529.72 999.67 s ii s2p2 4d -s2p2 5g 2 -760.87 63.27 s ii s2p2 4d -s2p2 6g 2 -589.84 67.52 s ii s2p2 4d -s2p2 7g 2 -457.99 63.12 s ii s2p2 4d -s2p2 8g 2 -366.30 56.91 s ii s2p2 4d -s2p2 9g 2 -301.09 50.81 s ii s2p2 4d -sp4 1 22125.86 s ii s2p2 4d -sp3 4p 2 10182.81 4760.78 s ii s2p2 4d -sp3 5p 2 558.76 2630.93 s ii s2p2 4d -sp3 6p 2 530.46 1745.60 s ii s2p2 4d -sp3 7p 2 394.27 1271.84 s ii s2p2 4d -sp3 8p 2 303.45 981.96 s ii s2p2 4d -sp3 9p 2 242.17 788.78 s ii s2p2 4d -sp3 4f 2 4244.32 -706.17 s ii s2p2 4d -sp3 5f 2 820.71 -686.52 s ii s2p2 4d -sp3 6f 2 -8.62 -599.45 s ii s2p2 4d -sp3 7f 2 -271.82 -513.38 s ii s2p2 4d -sp3 8f 2 -354.71 -440.47 s ii s2p2 4d -sp3 9f 2 -370.95 -380.89 s ii s2p2 5d -s2p2 6d 4 0.00 2148.80 1921.53 1268.26 s ii s2p2 5d -s2p2 7d 4 0.00 1613.36 1460.97 968.32 s ii s2p2 5d -s2p2 8d 4 0.00 1274.60 1162.73 772.64 s ii s2p2 5d -s2p2 9d 4 0.00 1042.34 955.48 636.01 s ii s2p2 5d -s2p2 5g 2 -40.18 32.16 s ii s2p2 5d -s2p2 6g 2 -217.12 34.56 s ii s2p2 5d -s2p2 7g 2 -221.81 32.44 s ii s2p2 5d -s2p2 8g 2 -200.02 29.32 s ii s2p2 5d -s2p2 9g 2 -175.96 26.22 s ii s2p2 5d -sp4 1 13486.13 s ii s2p2 5d -sp3 4p 2 6836.54 3071.60 s ii s2p2 5d -sp3 5p 2 3614.33 1712.70 s ii s2p2 5d -sp3 6p 2 478.25 1140.66 s ii s2p2 5d -sp3 7p 2 419.64 832.74 s ii s2p2 5d -sp3 8p 2 325.37 643.70 s ii s2p2 5d -sp3 9p 2 259.19 517.46 s ii s2p2 5d -sp3 4f 2 950.11 -408.90 s ii s2p2 5d -sp3 5f 2 2147.47 -399.71 s ii s2p2 5d -sp3 6f 2 990.95 -349.98 s ii s2p2 5d -sp3 7f 2 543.95 -300.23 s ii s2p2 5d -sp3 8f 2 327.14 -257.86 s ii s2p2 5d -sp3 9f 2 209.04 -223.14 s ii s2p2 6d -s2p2 7d 4 0.00 1216.38 1036.88 693.03 s ii s2p2 6d -s2p2 8d 4 0.00 961.33 825.74 553.44 s ii s2p2 6d -s2p2 9d 4 0.00 786.59 678.84 455.82 s ii s2p2 6d -s2p2 5g 2 -51.84 20.38 s ii s2p2 6d -s2p2 6g 2 -38.76 22.00 s ii s2p2 6d -s2p2 7g 2 -88.03 20.70 s ii s2p2 6d -s2p2 8g 2 -95.73 18.74 s ii s2p2 6d -s2p2 9g 2 -91.72 16.78 s ii s2p2 6d -sp4 1 9475.01 s ii s2p2 6d -sp3 4p 2 4969.66 2217.28 s ii s2p2 6d -sp3 5p 2 2841.64 1241.65 s ii s2p2 6d -sp3 6p 2 1639.79 828.43 s ii s2p2 6d -sp3 7p 2 330.16 605.37 s ii s2p2 6d -sp3 8p 2 294.80 468.22 s ii s2p2 6d -sp3 9p 2 237.90 376.53 s ii s2p2 6d -sp3 4f 2 574.68 -279.30 s ii s2p2 6d -sp3 5f 2 676.39 -273.81 s ii s2p2 6d -sp3 6f 2 1201.68 -240.09 s ii s2p2 6d -sp3 7f 2 710.73 -206.14 s ii s2p2 6d -sp3 8f 2 477.68 -177.14 s ii s2p2 6d -sp3 9f 2 344.59 -153.35 s ii s2p2 7d -s2p2 8d 4 0.00 756.62 629.04 423.62 s ii s2p2 7d -s2p2 9d 4 0.00 619.09 517.26 349.01 s ii s2p2 7d -s2p2 5g 2 -39.02 14.48 s ii s2p2 7d -s2p2 6g 2 -41.55 15.67 s ii s2p2 7d -s2p2 7g 2 -30.87 14.77 s ii s2p2 7d -s2p2 8g 2 -46.11 13.38 s ii s2p2 7d -s2p2 9g 2 -49.42 11.99 s ii s2p2 7d -sp4 1 7175.46 s ii s2p2 7d -sp3 4p 2 3826.07 1704.95 s ii s2p2 7d -sp3 5p 2 2252.97 957.06 s ii s2p2 7d -sp3 6p 2 1396.69 639.21 s ii s2p2 7d -sp3 7p 2 867.13 467.35 s ii s2p2 7d -sp3 8p 2 227.54 361.58 s ii s2p2 7d -sp3 9p 2 207.39 290.83 s ii s2p2 7d -sp3 4f 2 404.53 -207.92 s ii s2p2 7d -sp3 5f 2 449.00 -204.18 s ii s2p2 7d -sp3 6f 2 466.94 -179.20 s ii s2p2 7d -sp3 7f 2 734.04 -153.93 s ii s2p2 7d -sp3 8f 2 491.88 -132.32 s ii s2p2 7d -sp3 9f 2 362.28 -114.58 s ii s2p2 8d -s2p2 9d 4 0.00 503.14 412.23 278.98 s ii s2p2 8d -s2p2 5g 2 -30.44 11.02 s ii s2p2 8d -s2p2 6g 2 -33.05 11.95 s ii s2p2 8d -s2p2 7g 2 -30.73 11.27 s ii s2p2 8d -s2p2 8g 2 -23.57 10.22 s ii s2p2 8d -s2p2 9g 2 -28.38 9.16 s ii s2p2 8d -sp4 1 5696.96 s ii s2p2 8d -sp3 4p 2 3066.02 1366.55 s ii s2p2 8d -sp3 5p 2 1832.92 768.26 s ii s2p2 8d -sp3 6p 2 1168.12 513.44 s ii s2p2 8d -sp3 7p 2 774.25 375.52 s ii s2p2 8d -sp3 8p 2 509.29 290.59 s ii s2p2 8d -sp3 9p 2 160.98 233.77 s ii s2p2 8d -sp3 4f 2 307.65 -163.25 s ii s2p2 8d -sp3 5f 2 332.90 -160.49 s ii s2p2 8d -sp3 6f 2 330.01 -140.93 s ii s2p2 8d -sp3 7f 2 329.22 -121.10 s ii s2p2 8d -sp3 8f 2 479.39 -104.12 s ii s2p2 8d -sp3 9f 2 346.68 -90.17 s ii s2p2 9d -s2p2 5g 2 -24.58 8.78 s ii s2p2 9d -s2p2 6g 2 -26.83 9.53 s ii s2p2 9d -s2p2 7g 2 -25.35 9.00 s ii s2p2 9d -s2p2 8g 2 -22.67 8.16 s ii s2p2 9d -s2p2 9g 2 -17.96 7.32 s ii s2p2 9d -sp4 1 4674.15 s ii s2p2 9d -sp3 4p 2 2529.99 1128.34 s ii s2p2 9d -sp3 5p 2 1526.31 634.98 s ii s2p2 9d -sp3 6p 2 986.87 424.55 s ii s2p2 9d -sp3 7p 2 671.18 310.58 s ii s2p2 9d -sp3 8p 2 468.71 240.37 s ii s2p2 9d -sp3 9p 2 322.76 193.38 s ii s2p2 9d -sp3 4f 2 245.31 -132.91 s ii s2p2 9d -sp3 5f 2 261.96 -130.76 s ii s2p2 9d -sp3 6f 2 254.13 -114.87 s ii s2p2 9d -sp3 7f 2 243.54 -98.73 s ii s2p2 9d -sp3 8f 2 238.74 -84.90 s ii s2p2 9d -sp3 9f 2 329.65 -73.53 s ii s2p2 5g -s2p2 6g 4 0.00 335.45 4.90 3.43 s ii s2p2 5g -s2p2 7g 4 0.00 237.63 4.49 3.14 s ii s2p2 5g -s2p2 8g 4 0.00 182.40 3.99 2.80 s ii s2p2 5g -s2p2 9g 4 0.00 146.76 3.53 2.47 s ii s2p2 5g -s2p2 7i 2 100.33 0.03 s ii s2p2 5g -s2p2 8i 2 99.23 0.04 s ii s2p2 5g -s2p2 9i 2 89.81 0.04 s ii s2p2 5g -sp3 4f 2 -3262.80 -23.70 s ii s2p2 5g -sp3 5f 2 63.05 -21.85 s ii s2p2 5g -sp3 6f 2 -77.26 -18.55 s ii s2p2 5g -sp3 7f 2 -62.66 -15.62 s ii s2p2 5g -sp3 8f 2 -48.60 -13.25 s ii s2p2 5g -sp3 9f 2 -38.47 -11.38 s ii s2p2 6g -s2p2 7g 4 0.00 236.44 4.63 3.24 s ii s2p2 6g -s2p2 8g 4 0.00 182.33 4.12 2.89 s ii s2p2 6g -s2p2 9g 4 0.00 147.20 3.65 2.55 s ii s2p2 6g -s2p2 7i 2 -22.80 0.03 s ii s2p2 6g -s2p2 8i 2 9.95 0.04 s ii s2p2 6g -s2p2 9i 2 21.72 0.04 s ii s2p2 6g -sp3 4f 2 -2332.97 -24.78 s ii s2p2 6g -sp3 5f 2 -1182.98 -22.88 s ii s2p2 6g -sp3 6f 2 61.36 -19.44 s ii s2p2 6g -sp3 7f 2 -51.37 -16.37 s ii s2p2 6g -sp3 8f 2 -47.94 -13.90 s ii s2p2 6g -sp3 9f 2 -40.05 -11.93 s ii s2p2 7g -s2p2 8g 4 0.00 162.74 3.78 2.65 s ii s2p2 7g -s2p2 9g 4 0.00 131.68 3.34 2.34 s ii s2p2 7g -s2p2 7i 2 -0.02 0.03 s ii s2p2 7g -s2p2 8i 2 -12.06 0.03 s ii s2p2 7g -s2p2 9i 2 -2.83 0.03 s ii s2p2 7g -sp3 4f 2 -1775.28 -22.91 s ii s2p2 7g -sp3 5f 2 -1082.63 -21.16 s ii s2p2 7g -sp3 6f 2 -502.38 -17.98 s ii s2p2 7g -sp3 7f 2 50.70 -15.15 s ii s2p2 7g -sp3 8f 2 -30.52 -12.87 s ii s2p2 7g -sp3 9f 2 -32.32 -11.05 s ii s2p2 8g -s2p2 9g 4 0.00 114.89 2.98 2.09 s ii s2p2 8g -s2p2 7i 2 0.29 0.02 s ii s2p2 8g -s2p2 8i 2 -0.02 0.03 s ii s2p2 8g -s2p2 9i 2 -6.31 0.03 s ii s2p2 8g -sp3 4f 2 -1414.17 -20.50 s ii s2p2 8g -sp3 5f 2 -925.18 -18.95 s ii s2p2 8g -sp3 6f 2 -522.77 -16.11 s ii s2p2 8g -sp3 7f 2 -237.74 -13.58 s ii s2p2 8g -sp3 8f 2 40.16 -11.53 s ii s2p2 8g -sp3 9f 2 -17.47 -9.90 s ii s2p2 9g -s2p2 7i 2 0.37 0.02 s ii s2p2 9g -s2p2 8i 2 0.24 0.03 s ii s2p2 9g -s2p2 9i 2 -0.02 0.03 s ii s2p2 9g -sp3 4f 2 -1163.73 -18.21 s ii s2p2 9g -sp3 5f 2 -789.78 -16.84 s ii s2p2 9g -sp3 6f 2 -480.76 -14.32 s ii s2p2 9g -sp3 7f 2 -270.45 -12.07 s ii s2p2 9g -sp3 8f 2 -121.48 -10.25 s ii s2p2 9g -sp3 9f 2 31.58 -8.80 s ii s2p2 7i -s2p2 8i 4 0.00 38.65 0.00 0.00 s ii s2p2 7i -s2p2 9i 4 0.00 26.86 0.00 0.00 s ii s2p2 8i -s2p2 9i 4 0.00 32.07 0.00 0.00 s ii sp4 -sp3 4p 4 2667.27 15700.56 1982.23 8669.27 s ii sp4 -sp3 5p 4 1491.80 8743.52 1088.27 4573.50 s ii sp4 -sp3 6p 4 995.59 5825.63 719.87 2971.38 s ii sp4 -sp3 7p 4 727.74 4254.95 523.62 2140.20 s ii sp4 -sp3 8p 4 562.99 3290.25 403.87 1640.91 s ii sp4 -sp3 9p 4 452.82 2645.70 324.21 1312.08 s ii sp4 -sp3 4f 1 -3687.01 s ii sp4 -sp3 5f 1 -3482.58 s ii sp4 -sp3 6f 1 -2996.74 s ii sp4 -sp3 7f 1 -2544.47 s ii sp4 -sp3 8f 1 -2171.00 s ii sp4 -sp3 9f 1 -1870.18 s ii sp3 4p -sp3 5p 6 0.00 2725.67 0.00 4960.88 2114.88 2153.59 s ii sp3 4p -sp3 6p 6 0.00 1853.94 0.00 3159.44 1430.69 1465.43 s ii sp3 4p -sp3 7p 6 0.00 1368.77 0.00 2259.20 1053.29 1081.72 s ii sp3 4p -sp3 8p 6 0.00 1065.22 0.00 1725.90 818.34 841.61 s ii sp3 4p -sp3 9p 6 0.00 860.08 0.00 1377.01 660.04 679.37 s ii sp3 4p -sp3 4f 2 3283.16 -68.26 s ii sp3 4p -sp3 5f 2 2342.86 -101.21 s ii sp3 4p -sp3 6f 2 1731.41 -103.72 s ii sp3 4p -sp3 7f 2 1338.15 -96.53 s ii sp3 4p -sp3 8f 2 1072.20 -87.05 s ii sp3 4p -sp3 9f 2 883.54 -77.78 s ii sp3 5p -sp3 6p 6 0.00 1097.38 0.00 2289.00 835.91 883.92 s ii sp3 5p -sp3 7p 6 0.00 811.63 0.00 1631.20 616.44 654.86 s ii sp3 5p -sp3 8p 6 0.00 632.30 0.00 1245.37 479.41 510.60 s ii sp3 5p -sp3 9p 6 0.00 510.87 0.00 993.65 386.91 412.74 s ii sp3 5p -sp3 4f 2 541.93 13.06 s ii sp3 5p -sp3 5f 2 997.32 -7.77 s ii sp3 5p -sp3 6f 2 878.66 -15.86 s ii sp3 5p -sp3 7f 2 734.46 -18.14 s ii sp3 5p -sp3 8f 2 615.41 -18.09 s ii sp3 5p -sp3 9f 2 522.01 -17.13 s ii sp3 6p -sp3 7p 6 0.00 555.10 0.00 1211.75 419.27 450.70 s ii sp3 6p -sp3 8p 6 0.00 432.64 0.00 923.33 326.20 351.72 s ii sp3 6p -sp3 9p 6 0.00 349.65 0.00 736.37 263.33 284.47 s ii sp3 6p -sp3 4f 2 362.51 23.03 s ii sp3 6p -sp3 5f 2 362.51 8.48 s ii sp3 6p -sp3 6f 2 450.48 1.24 s ii sp3 6p -sp3 7f 2 413.19 -2.04 s ii sp3 6p -sp3 8f 2 361.84 -3.47 s ii sp3 6p -sp3 9f 2 314.92 -4.02 s ii sp3 7p -sp3 8p 6 0.00 320.42 0.00 713.32 240.87 261.27 s ii sp3 7p -sp3 9p 6 0.00 258.99 0.00 568.18 194.48 211.38 s ii sp3 7p -sp3 4f 2 254.53 22.33 s ii sp3 7p -sp3 5f 2 264.61 11.46 s ii sp3 7p -sp3 6f 2 236.22 5.46 s ii sp3 7p -sp3 7f 2 249.89 2.39 s ii sp3 7p -sp3 8f 2 229.77 0.78 s ii sp3 7p -sp3 9f 2 205.10 -0.08 s ii sp3 8p -sp3 9p 6 0.00 201.95 0.00 454.02 151.37 165.10 s ii sp3 8p -sp3 4f 2 191.66 19.80 s ii sp3 8p -sp3 5f 2 199.53 11.29 s ii sp3 8p -sp3 6f 2 182.36 6.32 s ii sp3 8p -sp3 7f 2 158.73 3.63 s ii sp3 8p -sp3 8f 2 155.92 2.13 s ii sp3 8p -sp3 9f 2 142.85 1.26 s ii sp3 9p -sp3 4f 2 151.30 17.24 s ii sp3 9p -sp3 5f 2 157.53 10.34 s ii sp3 9p -sp3 6f 2 144.09 6.18 s ii sp3 9p -sp3 7f 2 127.39 3.85 s ii sp3 9p -sp3 8f 2 110.62 2.51 s ii sp3 9p -sp3 9f 2 104.84 1.70 s ii sp3 4f -sp3 5f 6 0.00 150.05 0.00 1545.68 348.36 226.02 s ii sp3 4f -sp3 6f 6 0.00 129.43 0.00 1101.99 295.71 192.01 s ii sp3 4f -sp3 7f 6 0.00 110.05 0.00 843.19 249.02 161.76 s ii sp3 4f -sp3 8f 6 0.00 93.97 0.00 673.97 211.33 137.31 s ii sp3 4f -sp3 9f 6 0.00 81.00 0.00 555.45 181.37 117.86 s ii sp3 5f -sp3 6f 6 0.00 123.22 0.00 1004.91 273.62 178.14 s ii sp3 5f -sp3 7f 6 0.00 104.82 0.00 775.24 230.64 150.25 s ii sp3 5f -sp3 8f 6 0.00 89.54 0.00 623.11 195.85 127.64 s ii sp3 5f -sp3 9f 6 0.00 77.20 0.00 515.53 168.15 109.62 s ii sp3 6f -sp3 7f 6 0.00 90.56 0.00 651.80 196.35 128.09 s ii sp3 6f -sp3 8f 6 0.00 77.37 0.00 525.79 166.79 108.86 s ii sp3 6f -sp3 9f 6 0.00 66.71 0.00 436.19 143.23 93.51 s ii sp3 7f -sp3 8f 6 0.00 65.85 0.00 439.28 140.72 91.93 s ii sp3 7f -sp3 9f 6 0.00 56.78 0.00 365.06 120.87 78.98 s ii sp3 8f -sp3 9f 6 0.00 48.53 0.00 307.86 102.71 67.15